Application of nuclear magnetic resonance in food analysis

QU, Qian; JIN, Lan

doi:10.1590/fst.43622

Qian QU

Shandong Key Laboratory of Carbohydrate Chemistry and Glycobiology, National Glycoengineering Research Center, Shandong University, Qingdao, Shandong, P. R. China

Lan JIN ^**Corresponding author: lanjin@sdu.edu.cn

Shandong Key Laboratory of Carbohydrate Chemistry and Glycobiology, National Glycoengineering Research Center, Shandong University, Qingdao, Shandong, P. R. China

https://orcid.org/0000-0002-7031-6794

*Corresponding author: lanjin@sdu.edu.cn

Figures (2)
Tables (2)

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Figure 1
600.13 MHz 1H NMR spectra assignment of extra virgin olive oil. Peaks: 1, hexanal; 2, trans-2-hexenal; 3-6, terpene; 7, methylenic protons inR-glycerol moiety ofsn-1,3-diglycerides (3.988 ppm); 8, methylenic protons in R-glycerol moiety of sn-1,2-diglycerides; 9, 15, protons of linolenic fatty chains; 10, 16, protons of linoleic fatty chain; 11, squalene; 12, methylenic protons of all unsaturated fatty chains; 13, methylenic protons of palmitic and stearic fatty chains; 14, wax; 17, methyl-18 of β-sitosterol; A, reference peak due to methylenic protons bound to C2 normalized to 1000 (D’Imperio et al., 2010D’Imperio, M., Gobbino, M., Picanza, A., Costanzo, S., Corte, A. D., & Mannina, L. (2010). Influence of harvest method and period on olive oil composition: an NMR and statistical study. Journal of Agricultural and Food Chemistry, 58(20), 11043-11051. http://dx.doi.org/10.1021/jf1026982. PMid:20923192.
http://dx.doi.org/10.1021/jf1026982... ) with reprint permission from American Chemical Society.

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Figure 2
Top: conventional ¹H spectra of chestnut honey. Bottom: CSSF-TOCSY spectra of chestnut honey resulting from excitation at the frequency indicated. The black and the red traces refer to the genuine and the raffinose-spiked samples, respectively (Schievano et al., 2017Schievano, E., Tonoli, M., & Rastrelli, F. (2017). NMR quantification of carbohydrates in complex mixtures. A challenge on honey. Analytical Chemistry, 89(24), 13405-13414. http://dx.doi.org/10.1021/acs.analchem.7b03656. PMid:29110461.
http://dx.doi.org/10.1021/acs.analchem.7... ) with reprint permission from American Chemical Society.

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Table 1
¹H NMR of main components in wines (Son et al., 2008Son, H.-S., Kim, K. M., van den Berg, F., Hwang, G.-S., Park, W.-M., Lee, C.-H., & Hong, Y.-S. (2008). 1H nuclear magnetic resonance-based metabolomic characterization of wines by grape varieties and production areas. Journal of Agricultural and Food Chemistry, 56(17), 8007-8016. http://dx.doi.org/10.1021/jf801424u. PMid:18707121.
http://dx.doi.org/10.1021/jf801424u... ).

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Table 2
Key applications of NMR in analysis and structural characterization of fruits and vegetables.

	Compound	¹H Chemical shift (ppm)
Organic acid and Diol	2,3-butanediol	1.13, 3.61
	Acetic acid	2.08
	Citric acid	2.79, 2.91
	Glycerol	3.56, 3.76, 3.78
	Gallic acid	7.15
	Lactic acid	1.38, 4.29
	Malic acid	2.73, 2.86, 4.46
	Succinic acid	2.64
	Tartaric acid	4.51
Amino acid	Alanine	1.48, 3.80
	Proline	2.0, 2.07, 2.35, 3.33, 3.41, 4.12
	valine	0.87, 0.93
Sugar	α-Glucose	4.64
Sugar	β-Glucose	5.23

Food	Research objective	NMR method	Multivariate analysis	Reference
Apple	antioxidant capacity of dehydrated apple	¹H NMR	ANOVA, PCA	Francini et al., 2017Francini, A., Romeo, S., Cifelli, M., Gori, D., Domenici, V., & Sebastiani, L. (2017). 1H NMR and PCA-based analysis revealed variety dependent changes in phenolic contents of apple fruit after drying. Food Chemistry, 221(Pt 2), 1206-1213. http://dx.doi.org/10.1016/j.foodchem.2016.11.038. PMid:27979079. http://dx.doi.org/10.1016/j.foodchem.201...
Banana	changes of metabolites during banana senescence after harvest	¹H NMR, COSY, JRES, HSQC,	PCA	Yuan et al., 2017Yuan, Y., Zhao, Y., Yang, J., Jiang, Y., Lu, F., Jia, Y., & Yang, B. (2017). Metabolomic analyses of banana during postharvest senescence by 1H-high resolution-NMR. Food Chemistry, 218, 406-412. http://dx.doi.org/10.1016/j.foodchem.2016.09.080. PMid:27719928. http://dx.doi.org/10.1016/j.foodchem.201...
Mango	analyze the authenticity of Alphonso mango	¹H NMR	local outlier factor	Strecker & Ara, 2022Strecker, C., & Ara, V. (2022). Detecting Admixture to Mango Purée of the Alphonso Cultivar (Mangifera indica L. cv. Alphonso) by 1H-NMR Spectroscopy. Food Analytical Methods, 15, 203-211. https://doi.org/10.1007/s12161-021-02116-y. https://doi.org/10.1007/s12161-021-02116...
Tomatoes	distinguish Organic Tomato from conventional tomato	¹H NMR	PCA, LDA	Hohmann et al., 2014Hohmann, M., Christoph, N., Wachter, H., & Holzgrabe, U. (2014). 1H NMR profiling as an approach to differentiate conventionally and organically grown tomatoes. Journal of Agricultural and Food Chemistry, 62(33), 8530-8540. http://dx.doi.org/10.1021/jf502113r. PMid:25066078. http://dx.doi.org/10.1021/jf502113r...
Celery	biomarkers of celery metabolites and geographical sources	¹H NMR	PCA, PLS-DA	Lau et al., 2020Lau, H., Laserna, A. K. C., & Li, S. F. Y. (2020). 1H NMR-based metabolomics for the discrimination of celery (Apium graveolens L. var. dulce) from different geographical origins. Food Chemistry, 332, 127424. http://dx.doi.org/10.1016/j.foodchem.2020.127424. PMid:32619947. http://dx.doi.org/10.1016/j.foodchem.202...
Sweet orange	identify the components and geographical indications of Chinese sweet orange	¹H NMR	PCA, PLS-DA, CV-ANOVA	Lin et al., 2021Lin, H., He, C., Liu, H., Shen, G., Xia, F., & Feng, J. (2021). NMR-based quantitative component analysis and geographical origin identification of China’s sweet orange. Food Control, 130, 108292. http://dx.doi.org/10.1016/j.foodcont.2021.108292. http://dx.doi.org/10.1016/j.foodcont.202...

[1] *Corresponding author: lanjin@sdu.edu.cn

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Application of nuclear magnetic resonance in food analysis

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